N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide

C31H35N3O2 — CID 10184418

IUPACN-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide
SMILESCc1ccc(-n2c(-c3ccccc3)nc3ccc(OCCCCCC(=O)NC4CCC4)cc32)cc1C
InChIInChI=1S/C31H35N3O2/c1-22-15-16-26(20-23(22)2)34-29-21-27(17-18-28(29)33-31(34)24-10-5-3-6-11-24)36-19-8-4-7-14-30(35)32-25-12-9-13-25/h3,5-6,10-11,15-18,20-21,25H,4,7-9,12-14,19H2,1-2H3,(H,32,35)
InChIKeyVOTIVYSZBZSXEN-UHFFFAOYSA-N
MW481.64 g/mol
LogP6.92
Rot. Bonds10

About N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide

N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide (PubChem CID 10184418) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide.

Molecular Properties

Compound NameN-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide
PubChem CID10184418
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC NameN-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide
SMILESCc1ccc(-n2c(-c3ccccc3)nc3ccc(OCCCCCC(=O)NC4CCC4)cc32)cc1C
InChIInChI=1S/C31H35N3O2/c1-22-15-16-26(20-23(22)2)34-29-21-27(17-18-28(29)33-31(34)24-10-5-3-6-11-24)36-19-8-4-7-14-30(35)32-25-12-9-13-25/h3,5-6,10-11,15-18,20-21,25H,4,7-9,12-14,19H2,1-2H3,(H,32,35)
InChIKeyVOTIVYSZBZSXEN-UHFFFAOYSA-N
XLogP6.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-diphenylbenzimidazol-5-yl)oxypentanoic acid
CID 15296805
methyl 7-(2,3-diphenylbenzimidazol-5-yl)oxyheptanoate
CID 10202839
methyl 6-[3-(3-methylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 10296194
methyl 6-[3-(9H-fluoren-2-yl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67365288
methyl 6-[2-phenyl-3-(3-phenylmethoxyphenyl)benzimidazol-5-yl]oxyhexanoate
CID 67365250
methyl 6-[2-(3-methylphenyl)-3-phenylbenzimidazol-5-yl]oxyhexanoate
CID 67366010
methyl 6-[3-(3-cyanophenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate
CID 10138097
6-hexoxy-1,2-diphenylbenzimidazole
CID 70171573
ethyl 4-(2,3-diphenylbenzimidazol-5-yl)oxybutanoate
CID 15296815
N-(2-methoxyethyl)-5-[3-(4-methylphenyl)-2-pyridin-3-ylbenzimidazol-5-yl]oxypentanamide
CID 10195272
propan-2-yl 6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]oxyhexanoate
CID 10142261
methyl 6-(3-methyl-2-phenylbenzimidazol-5-yl)oxyhexanoate;methyl 6-(2-phenyl-3-propylbenzimidazol-5-yl)oxyhexanoate
CID 158789257

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide?
The IUPAC name of N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide (CID 10184418) is N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide.
What is the SMILES notation for N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide?
The canonical SMILES for N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide is Cc1ccc(-n2c(-c3ccccc3)nc3ccc(OCCCCCC(=O)NC4CCC4)cc32)cc1C.
What is the InChIKey of N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide?
The InChIKey is VOTIVYSZBZSXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c1-22-15-16-26(20-23(22)2)34-29-21-27(17-18-28(29)33-31(34)24-10-5-3-6-11-24)36-19-8-4-7-14-30(35)32-25-12-9-13-25/h3,5-6,10-11,15-18,20-21,25H,4,7-9,12-14,19H2,1-2H3,(H,32,35).
What are the key properties of N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide?
N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide has a molecular weight of 481.64 g/mol, XLogP of 6.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-[3-(3,4-dimethylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanamide is sourced from PubChem (CID 10184418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).